SCHEMBL2744713

SCHEMBL2744713

C=C(C)C(=O)OCC[N+](CCC)(CCC)CCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
THRB P10828 1/20 0.53
CHRM5 P08912 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
SLC22A1 O15245 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ACHE P22303 3/20 0.37
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PGR P06401 1/20 0.36
HTR1A P08908 1/20 0.36
CHRNB2 P17787 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2796194 1.00 TSHR (0.61) TSHRTHRBCHRM5CHRM1CHRM3
Bromide SCHEMBL28547094 0.98 TSHR (0.59) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL16353002 0.93 TSHR (0.53) TSHRTHRBCHRM5CHRM1CHRM3
Bromide SCHEMBL4952804 0.91 TSHR (0.51) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL2745020 0.89 TSHR (0.68) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL24901037 0.87 TSHR (0.71) TSHRTHRBSLC22A1ALDH1A1ACHE
SCHEMBL2744512 0.87 TSHR (0.71) TSHRTHRBSLC22A1ALDH1A1ACHE
SCHEMBL9278057 0.87 TSHR (0.71) TSHRTHRBSLC22A1ALDH1A1ACHE
SCHEMBL16352958 0.87 TSHR (0.56) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL1044534 0.86 THRB (0.55) TSHRTHRBCHRM5CHRM1CHRM3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178009-B2 Slurry for secondary battery electrode, electrode for secondary battery, process for production of electrode for secondary battery, and secondary battery SUMITOMO BAKELITE CO., LTD. (JP) 2012-05-15 US disclosed
US-20100075222-A1 SLURRY FOR SECONDARY BATTERY ELECTRODE, ELECTRODE FOR SECONDARY BATTERY, PROCESS FOR PRODUCTION OF ELECTRODE FOR SECONDARY BATTERY, AND SECONDARY BATTERY SUMITOMO BAKELITE CO., LTD. (JP) 2010-03-25 US disclosed